(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

C18H32N4O3 — CID 142158974

IUPAC(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CCN2CCOCC2)C1=O
InChIInChI=1S/C18H32N4O3/c1-19-16-5-3-7-21(18(16)24)14-17(23)22-8-2-4-15(22)6-9-20-10-12-25-13-11-20/h15-16,19H,2-14H2,1H3/t15-,16+/m0/s1
InChIKeyFDQCIKWLOOGBEW-JKSUJKDBSA-N
MW352.48 g/mol
LogP-0.09
Rot. Bonds6

About (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one

(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 142158974) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID142158974
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESCN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CCN2CCOCC2)C1=O
InChIInChI=1S/C18H32N4O3/c1-19-16-5-3-7-21(18(16)24)14-17(23)22-8-2-4-15(22)6-9-20-10-12-25-13-11-20/h15-16,19H,2-14H2,1H3/t15-,16+/m0/s1
InChIKeyFDQCIKWLOOGBEW-JKSUJKDBSA-N
XLogP-0.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 142158974) is (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is CN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CCN2CCOCC2)C1=O.
What is the InChIKey of (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is FDQCIKWLOOGBEW-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-19-16-5-3-7-21(18(16)24)14-17(23)22-8-2-4-15(22)6-9-20-10-12-25-13-11-20/h15-16,19H,2-14H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one?
(3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 352.48 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-1-[2-[(2S)-2-(2-morpholin-4-ylethyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 142158974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).